USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Set 1.1: B 3 THR OG1 : rot -130:sc= 0.625 USER MOD Set 1.2: B 5 GLN : amide:sc= 0.37 K(o=1,f=1.7) USER MOD Set 2.1: A 23 LYS NZ :NH3+ -117:sc= 1.24 (180deg=-0.201) USER MOD Set 2.2: A 32 ASN : amide:sc= -2.99 K(o=-1.7,f=-8.1!) USER MOD Set 3.1: A 15 ASN : amide:sc= 0.137 K(o=2.1,f=-2.5!) USER MOD Set 3.2: A 17 LYS NZ :NH3+ 172:sc= 2 (180deg=1.11) USER MOD Single : A 1 GLY N :NH3+ 164:sc= -0.961 (180deg=-1.33) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0.599 (180deg=0.571) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.0169 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 124:sc= 1.19 USER MOD Single : A 39 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.63) USER MOD Single : A 42 CYS SG : rot 47:sc= -0.823 USER MOD Single : A 51 ASN : amide:sc= 0.0774 K(o=0.077,f=-1!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.86! K(o=-1.9!,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -114:sc= -1.95! (180deg=-5.15!) USER MOD Single : B 1 ALA N :NH3+ 142:sc= 0.00797 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.233 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 152:sc= 0.182 (180deg=-0.789) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.967 -0.379 -7.294 1.00 0.00 N ATOM 2 CA GLY A 1 6.635 -0.373 -5.851 1.00 0.00 C ATOM 3 C GLY A 1 5.664 0.737 -5.497 1.00 0.00 C ATOM 4 O GLY A 1 5.237 1.496 -6.381 1.00 0.00 O ATOM 0 H1 GLY A 1 7.818 -0.956 -7.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.172 -0.780 -7.831 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.145 0.595 -7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.203 -1.335 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.549 -0.255 -5.269 1.00 0.00 H new ATOM 10 N GLU A 2 5.302 0.835 -4.204 1.00 0.00 N ATOM 11 CA GLU A 2 4.294 1.807 -3.746 1.00 0.00 C ATOM 12 C GLU A 2 4.850 3.234 -3.734 1.00 0.00 C ATOM 13 O GLU A 2 4.208 4.151 -4.259 1.00 0.00 O ATOM 14 CB GLU A 2 3.709 1.404 -2.372 1.00 0.00 C ATOM 15 CG GLU A 2 4.741 1.197 -1.251 1.00 0.00 C ATOM 16 CD GLU A 2 4.091 0.783 0.068 1.00 0.00 C ATOM 17 OE1 GLU A 2 3.924 -0.436 0.319 1.00 0.00 O ATOM 18 OE2 GLU A 2 3.711 1.675 0.852 1.00 0.00 O ATOM 0 H GLU A 2 5.692 0.255 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 2 3.474 1.793 -4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.004 2.173 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.141 0.482 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.457 0.434 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.303 2.119 -1.103 1.00 0.00 H new ATOM 25 N PHE A 3 6.042 3.444 -3.140 1.00 0.00 N ATOM 26 CA PHE A 3 6.697 4.760 -3.171 1.00 0.00 C ATOM 27 C PHE A 3 8.053 4.636 -3.870 1.00 0.00 C ATOM 28 O PHE A 3 8.951 3.938 -3.406 1.00 0.00 O ATOM 29 CB PHE A 3 6.818 5.339 -1.734 1.00 0.00 C ATOM 30 CG PHE A 3 5.462 5.678 -1.115 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.713 6.756 -1.598 1.00 0.00 C ATOM 32 CD2 PHE A 3 4.928 4.927 -0.067 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.480 7.066 -1.054 1.00 0.00 C ATOM 34 CE2 PHE A 3 3.694 5.242 0.476 1.00 0.00 C ATOM 35 CZ PHE A 3 2.973 6.309 -0.015 1.00 0.00 C ATOM 0 H PHE A 3 6.564 2.725 -2.639 1.00 0.00 H new ATOM 0 HA PHE A 3 6.092 5.464 -3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.332 4.618 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.435 6.237 -1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 3 5.103 7.355 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.485 4.089 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.913 7.900 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.295 4.650 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.012 6.554 0.412 1.00 0.00 H new ATOM 45 N VAL A 4 8.161 5.311 -5.019 1.00 0.00 N ATOM 46 CA VAL A 4 9.392 5.366 -5.804 1.00 0.00 C ATOM 47 C VAL A 4 10.305 6.462 -5.251 1.00 0.00 C ATOM 48 O VAL A 4 9.846 7.556 -4.909 1.00 0.00 O ATOM 49 CB VAL A 4 9.087 5.598 -7.334 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.184 6.839 -7.568 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.395 5.683 -8.165 1.00 0.00 C ATOM 0 H VAL A 4 7.390 5.837 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 4 9.902 4.406 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 4 8.529 4.729 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.001 6.959 -8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.235 6.701 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.682 7.729 -7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.149 5.843 -9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.002 6.513 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.953 4.753 -8.061 1.00 0.00 H new ATOM 61 N VAL A 5 11.593 6.140 -5.128 1.00 0.00 N ATOM 62 CA VAL A 5 12.622 7.090 -4.697 1.00 0.00 C ATOM 63 C VAL A 5 13.581 7.364 -5.868 1.00 0.00 C ATOM 64 O VAL A 5 14.037 6.434 -6.545 1.00 0.00 O ATOM 65 CB VAL A 5 13.386 6.594 -3.407 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.754 5.094 -3.476 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.637 7.472 -3.117 1.00 0.00 C ATOM 0 H VAL A 5 11.955 5.207 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 5 12.139 8.025 -4.413 1.00 0.00 H new ATOM 0 HB VAL A 5 12.695 6.708 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.277 4.805 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.845 4.501 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.399 4.917 -4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.140 7.104 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.321 7.423 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.328 8.505 -2.960 1.00 0.00 H new ATOM 77 N GLU A 6 13.819 8.661 -6.115 1.00 0.00 N ATOM 78 CA GLU A 6 14.802 9.149 -7.087 1.00 0.00 C ATOM 79 C GLU A 6 16.224 8.754 -6.648 1.00 0.00 C ATOM 80 O GLU A 6 16.904 7.980 -7.329 1.00 0.00 O ATOM 81 CB GLU A 6 14.688 10.692 -7.201 1.00 0.00 C ATOM 82 CG GLU A 6 15.748 11.362 -8.102 1.00 0.00 C ATOM 83 CD GLU A 6 15.773 12.886 -7.944 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.228 13.360 -6.882 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.331 13.612 -8.857 1.00 0.00 O ATOM 0 H GLU A 6 13.323 9.412 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 6 14.602 8.699 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.698 10.940 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.760 11.121 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.732 10.959 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.546 11.111 -9.143 1.00 0.00 H new ATOM 92 N LYS A 7 16.651 9.295 -5.494 1.00 0.00 N ATOM 93 CA LYS A 7 17.997 9.064 -4.942 1.00 0.00 C ATOM 94 C LYS A 7 18.037 9.501 -3.473 1.00 0.00 C ATOM 95 O LYS A 7 17.095 10.121 -2.969 1.00 0.00 O ATOM 96 CB LYS A 7 19.094 9.821 -5.757 1.00 0.00 C ATOM 97 CG LYS A 7 19.023 11.367 -5.678 1.00 0.00 C ATOM 98 CD LYS A 7 20.190 12.051 -6.428 1.00 0.00 C ATOM 99 CE LYS A 7 20.165 13.587 -6.306 1.00 0.00 C ATOM 100 NZ LYS A 7 18.945 14.185 -6.905 1.00 0.00 N ATOM 0 H LYS A 7 16.072 9.905 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 7 18.211 7.997 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.074 9.499 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.018 9.522 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.076 11.706 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.036 11.675 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 7 21.136 11.676 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 7 20.149 11.775 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.223 13.866 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.047 14.002 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.935 15.209 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.943 14.016 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.101 13.750 -6.481 1.00 0.00 H new ATOM 114 N VAL A 8 19.130 9.150 -2.794 1.00 0.00 N ATOM 115 CA VAL A 8 19.421 9.631 -1.439 1.00 0.00 C ATOM 116 C VAL A 8 20.082 11.024 -1.509 1.00 0.00 C ATOM 117 O VAL A 8 20.860 11.302 -2.423 1.00 0.00 O ATOM 118 CB VAL A 8 20.361 8.634 -0.679 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.698 9.159 0.735 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.747 7.205 -0.629 1.00 0.00 C ATOM 0 H VAL A 8 19.842 8.522 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 8 18.481 9.701 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 8 21.296 8.565 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.352 8.448 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.202 10.122 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.778 9.277 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.423 6.537 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.788 7.239 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.600 6.837 -1.644 1.00 0.00 H new ATOM 130 N LEU A 9 19.764 11.884 -0.527 1.00 0.00 N ATOM 131 CA LEU A 9 20.288 13.259 -0.441 1.00 0.00 C ATOM 132 C LEU A 9 21.285 13.405 0.721 1.00 0.00 C ATOM 133 O LEU A 9 22.228 14.200 0.633 1.00 0.00 O ATOM 134 CB LEU A 9 19.122 14.260 -0.280 1.00 0.00 C ATOM 135 CG LEU A 9 18.112 14.331 -1.470 1.00 0.00 C ATOM 136 CD1 LEU A 9 16.937 15.271 -1.148 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.813 14.748 -2.785 1.00 0.00 C ATOM 0 H LEU A 9 19.131 11.643 0.236 1.00 0.00 H new ATOM 0 HA LEU A 9 20.821 13.478 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.570 14.003 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.541 15.254 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 9 17.709 13.329 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.251 15.300 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.410 14.906 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.316 16.274 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.081 14.787 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.267 15.731 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.586 14.020 -3.032 1.00 0.00 H new ATOM 149 N ASP A 10 21.075 12.630 1.809 1.00 0.00 N ATOM 150 CA ASP A 10 21.904 12.729 3.030 1.00 0.00 C ATOM 151 C ASP A 10 21.884 11.385 3.790 1.00 0.00 C ATOM 152 O ASP A 10 21.006 10.563 3.556 1.00 0.00 O ATOM 153 CB ASP A 10 21.389 13.898 3.921 1.00 0.00 C ATOM 154 CG ASP A 10 22.409 14.337 4.983 1.00 0.00 C ATOM 155 OD1 ASP A 10 22.404 13.787 6.096 1.00 0.00 O ATOM 156 OD2 ASP A 10 23.244 15.220 4.692 1.00 0.00 O ATOM 0 H ASP A 10 20.337 11.928 1.865 1.00 0.00 H new ATOM 0 HA ASP A 10 22.937 12.942 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.143 14.750 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.467 13.592 4.415 1.00 0.00 H new ATOM 161 N ARG A 11 22.854 11.171 4.695 1.00 0.00 N ATOM 162 CA ARG A 11 22.964 9.930 5.497 1.00 0.00 C ATOM 163 C ARG A 11 23.220 10.298 6.965 1.00 0.00 C ATOM 164 O ARG A 11 23.979 11.236 7.244 1.00 0.00 O ATOM 165 CB ARG A 11 24.125 9.047 4.969 1.00 0.00 C ATOM 166 CG ARG A 11 24.192 7.613 5.559 1.00 0.00 C ATOM 167 CD ARG A 11 25.471 6.859 5.136 1.00 0.00 C ATOM 168 NE ARG A 11 25.368 5.398 5.325 1.00 0.00 N ATOM 169 CZ ARG A 11 26.404 4.539 5.417 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.649 4.975 5.437 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.178 3.236 5.461 1.00 0.00 N ATOM 0 H ARG A 11 23.587 11.851 4.895 1.00 0.00 H new ATOM 0 HA ARG A 11 22.034 9.368 5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.038 8.972 3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.068 9.552 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.150 7.669 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.317 7.049 5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.681 7.070 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.316 7.236 5.712 1.00 0.00 H new ATOM 0 HE ARG A 11 24.430 5.003 5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.840 5.975 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.421 4.312 5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.222 2.883 5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 11 26.960 2.585 5.531 1.00 0.00 H new ATOM 185 N ARG A 12 22.602 9.549 7.893 1.00 0.00 N ATOM 186 CA ARG A 12 22.779 9.759 9.340 1.00 0.00 C ATOM 187 C ARG A 12 22.660 8.422 10.095 1.00 0.00 C ATOM 188 O ARG A 12 22.304 7.388 9.512 1.00 0.00 O ATOM 189 CB ARG A 12 21.743 10.792 9.871 1.00 0.00 C ATOM 190 CG ARG A 12 20.316 10.240 10.122 1.00 0.00 C ATOM 191 CD ARG A 12 19.352 11.326 10.640 1.00 0.00 C ATOM 192 NE ARG A 12 19.897 12.042 11.810 1.00 0.00 N ATOM 193 CZ ARG A 12 19.180 12.702 12.727 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.853 12.668 12.714 1.00 0.00 N ATOM 195 NH2 ARG A 12 19.810 13.377 13.664 1.00 0.00 N ATOM 0 H ARG A 12 21.968 8.784 7.663 1.00 0.00 H new ATOM 0 HA ARG A 12 23.777 10.160 9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.120 11.212 10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.676 11.612 9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.923 9.820 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.366 9.426 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.148 12.040 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.400 10.867 10.908 1.00 0.00 H new ATOM 0 HE ARG A 12 20.910 12.033 11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.364 12.133 11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.323 13.177 13.421 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.830 13.392 13.684 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.279 13.886 14.371 1.00 0.00 H new ATOM 209 N VAL A 13 22.981 8.459 11.401 1.00 0.00 N ATOM 210 CA VAL A 13 22.831 7.312 12.314 1.00 0.00 C ATOM 211 C VAL A 13 21.865 7.691 13.448 1.00 0.00 C ATOM 212 O VAL A 13 22.110 8.656 14.176 1.00 0.00 O ATOM 213 CB VAL A 13 24.214 6.864 12.920 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.053 5.654 13.880 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.242 6.548 11.807 1.00 0.00 C ATOM 0 H VAL A 13 23.355 9.292 11.855 1.00 0.00 H new ATOM 0 HA VAL A 13 22.433 6.473 11.744 1.00 0.00 H new ATOM 0 HB VAL A 13 24.595 7.703 13.503 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.028 5.373 14.278 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.390 5.927 14.701 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.628 4.811 13.335 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.185 6.242 12.259 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.862 5.742 11.179 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.403 7.437 11.198 1.00 0.00 H new ATOM 225 N VAL A 14 20.761 6.932 13.572 1.00 0.00 N ATOM 226 CA VAL A 14 19.748 7.105 14.636 1.00 0.00 C ATOM 227 C VAL A 14 19.450 5.735 15.259 1.00 0.00 C ATOM 228 O VAL A 14 19.133 4.792 14.531 1.00 0.00 O ATOM 229 CB VAL A 14 18.412 7.741 14.077 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.264 7.733 15.119 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.657 9.174 13.561 1.00 0.00 C ATOM 0 H VAL A 14 20.542 6.171 12.929 1.00 0.00 H new ATOM 0 HA VAL A 14 20.146 7.789 15.386 1.00 0.00 H new ATOM 0 HB VAL A 14 18.095 7.113 13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.372 8.181 14.681 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.047 6.706 15.413 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.565 8.306 15.996 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.723 9.589 13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.026 9.796 14.376 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.395 9.151 12.759 1.00 0.00 H new ATOM 241 N ASN A 15 19.569 5.647 16.604 1.00 0.00 N ATOM 242 CA ASN A 15 19.322 4.412 17.405 1.00 0.00 C ATOM 243 C ASN A 15 20.379 3.329 17.104 1.00 0.00 C ATOM 244 O ASN A 15 20.180 2.146 17.404 1.00 0.00 O ATOM 245 CB ASN A 15 17.878 3.843 17.177 1.00 0.00 C ATOM 246 CG ASN A 15 16.748 4.848 17.430 1.00 0.00 C ATOM 247 OD1 ASN A 15 15.732 4.833 16.737 1.00 0.00 O ATOM 248 ND2 ASN A 15 16.899 5.717 18.418 1.00 0.00 N ATOM 0 H ASN A 15 19.844 6.443 17.179 1.00 0.00 H new ATOM 0 HA ASN A 15 19.406 4.696 18.454 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.802 3.482 16.151 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.734 2.982 17.830 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.163 6.394 18.619 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.751 5.709 18.978 1.00 0.00 H new ATOM 255 N GLY A 16 21.507 3.756 16.516 1.00 0.00 N ATOM 256 CA GLY A 16 22.542 2.837 16.027 1.00 0.00 C ATOM 257 C GLY A 16 22.312 2.413 14.577 1.00 0.00 C ATOM 258 O GLY A 16 23.241 1.946 13.913 1.00 0.00 O ATOM 0 H GLY A 16 21.725 4.741 16.368 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.518 3.316 16.112 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.566 1.951 16.662 1.00 0.00 H new ATOM 262 N LYS A 17 21.067 2.600 14.081 1.00 0.00 N ATOM 263 CA LYS A 17 20.661 2.200 12.719 1.00 0.00 C ATOM 264 C LYS A 17 21.173 3.228 11.689 1.00 0.00 C ATOM 265 O LYS A 17 21.502 4.367 12.037 1.00 0.00 O ATOM 266 CB LYS A 17 19.099 2.020 12.635 1.00 0.00 C ATOM 267 CG LYS A 17 18.311 3.138 11.900 1.00 0.00 C ATOM 268 CD LYS A 17 16.780 2.910 11.921 1.00 0.00 C ATOM 269 CE LYS A 17 16.180 3.034 13.328 1.00 0.00 C ATOM 270 NZ LYS A 17 16.293 4.414 13.870 1.00 0.00 N ATOM 0 H LYS A 17 20.316 3.034 14.618 1.00 0.00 H new ATOM 0 HA LYS A 17 21.112 1.236 12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 17 18.891 1.073 12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.710 1.939 13.650 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.536 4.099 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.651 3.195 10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.300 3.633 11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.559 1.920 11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.130 2.742 13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.686 2.340 13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.758 4.483 14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.293 4.635 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.907 5.090 13.181 1.00 0.00 H new ATOM 284 N VAL A 18 21.193 2.817 10.416 1.00 0.00 N ATOM 285 CA VAL A 18 21.740 3.623 9.308 1.00 0.00 C ATOM 286 C VAL A 18 20.584 4.144 8.436 1.00 0.00 C ATOM 287 O VAL A 18 19.973 3.377 7.689 1.00 0.00 O ATOM 288 CB VAL A 18 22.746 2.775 8.440 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.308 3.603 7.261 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.889 2.201 9.314 1.00 0.00 C ATOM 0 H VAL A 18 20.829 1.911 10.119 1.00 0.00 H new ATOM 0 HA VAL A 18 22.288 4.468 9.723 1.00 0.00 H new ATOM 0 HB VAL A 18 22.193 1.935 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.998 2.990 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.488 3.928 6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.835 4.476 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.568 1.620 8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.436 3.020 9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.468 1.558 10.087 1.00 0.00 H new ATOM 300 N GLU A 19 20.295 5.454 8.540 1.00 0.00 N ATOM 301 CA GLU A 19 19.199 6.102 7.800 1.00 0.00 C ATOM 302 C GLU A 19 19.735 6.944 6.642 1.00 0.00 C ATOM 303 O GLU A 19 20.863 7.435 6.674 1.00 0.00 O ATOM 304 CB GLU A 19 18.343 6.967 8.754 1.00 0.00 C ATOM 305 CG GLU A 19 17.603 6.153 9.838 1.00 0.00 C ATOM 306 CD GLU A 19 16.716 6.975 10.783 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.491 8.178 10.536 1.00 0.00 O ATOM 308 OE2 GLU A 19 16.239 6.409 11.795 1.00 0.00 O ATOM 0 H GLU A 19 20.816 6.093 9.141 1.00 0.00 H new ATOM 0 HA GLU A 19 18.568 5.320 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.986 7.701 9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.611 7.523 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.984 5.402 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.341 5.617 10.434 1.00 0.00 H new ATOM 315 N TYR A 20 18.891 7.091 5.622 1.00 0.00 N ATOM 316 CA TYR A 20 19.169 7.853 4.403 1.00 0.00 C ATOM 317 C TYR A 20 17.960 8.753 4.128 1.00 0.00 C ATOM 318 O TYR A 20 16.824 8.305 4.270 1.00 0.00 O ATOM 319 CB TYR A 20 19.375 6.900 3.197 1.00 0.00 C ATOM 320 CG TYR A 20 20.606 5.986 3.284 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.554 4.766 3.951 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.819 6.349 2.693 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.664 3.961 4.032 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.924 5.540 2.770 1.00 0.00 C ATOM 325 CZ TYR A 20 22.838 4.346 3.437 1.00 0.00 C ATOM 326 OH TYR A 20 23.942 3.539 3.526 1.00 0.00 O ATOM 0 H TYR A 20 17.963 6.669 5.620 1.00 0.00 H new ATOM 0 HA TYR A 20 20.077 8.441 4.537 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.487 6.277 3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.452 7.500 2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.630 4.448 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.888 7.288 2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.612 3.023 4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.853 5.841 2.309 1.00 0.00 H new ATOM 0 HH TYR A 20 23.659 2.603 3.589 1.00 0.00 H new ATOM 336 N PHE A 21 18.191 10.020 3.761 1.00 0.00 N ATOM 337 CA PHE A 21 17.109 10.923 3.361 1.00 0.00 C ATOM 338 C PHE A 21 16.741 10.595 1.911 1.00 0.00 C ATOM 339 O PHE A 21 17.489 10.914 0.985 1.00 0.00 O ATOM 340 CB PHE A 21 17.554 12.405 3.515 1.00 0.00 C ATOM 341 CG PHE A 21 16.412 13.415 3.407 1.00 0.00 C ATOM 342 CD1 PHE A 21 16.013 13.924 2.176 1.00 0.00 C ATOM 343 CD2 PHE A 21 15.740 13.852 4.547 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.985 14.835 2.085 1.00 0.00 C ATOM 345 CE2 PHE A 21 14.712 14.765 4.455 1.00 0.00 C ATOM 346 CZ PHE A 21 14.335 15.257 3.224 1.00 0.00 C ATOM 0 H PHE A 21 19.119 10.442 3.733 1.00 0.00 H new ATOM 0 HA PHE A 21 16.237 10.787 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.043 12.528 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.298 12.631 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.517 13.600 1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 21 16.029 13.470 5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.688 15.219 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.202 15.095 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.530 15.973 3.152 1.00 0.00 H new ATOM 356 N LEU A 22 15.596 9.936 1.734 1.00 0.00 N ATOM 357 CA LEU A 22 15.105 9.513 0.423 1.00 0.00 C ATOM 358 C LEU A 22 14.297 10.623 -0.235 1.00 0.00 C ATOM 359 O LEU A 22 13.221 10.986 0.254 1.00 0.00 O ATOM 360 CB LEU A 22 14.249 8.212 0.546 1.00 0.00 C ATOM 361 CG LEU A 22 15.041 6.872 0.433 1.00 0.00 C ATOM 362 CD1 LEU A 22 16.050 6.690 1.580 1.00 0.00 C ATOM 363 CD2 LEU A 22 14.073 5.680 0.308 1.00 0.00 C ATOM 0 H LEU A 22 14.978 9.679 2.503 1.00 0.00 H new ATOM 0 HA LEU A 22 15.968 9.298 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.732 8.228 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.483 8.227 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 22 15.635 6.913 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.575 5.743 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.769 7.509 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.521 6.689 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.644 4.755 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.432 5.638 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.458 5.803 -0.583 1.00 0.00 H new ATOM 375 N LYS A 23 14.840 11.152 -1.341 1.00 0.00 N ATOM 376 CA LYS A 23 14.111 12.030 -2.233 1.00 0.00 C ATOM 377 C LYS A 23 13.108 11.148 -2.994 1.00 0.00 C ATOM 378 O LYS A 23 13.492 10.475 -3.955 1.00 0.00 O ATOM 379 CB LYS A 23 15.088 12.776 -3.215 1.00 0.00 C ATOM 380 CG LYS A 23 14.544 14.092 -3.829 1.00 0.00 C ATOM 381 CD LYS A 23 13.304 13.906 -4.734 1.00 0.00 C ATOM 382 CE LYS A 23 12.805 15.230 -5.320 1.00 0.00 C ATOM 383 NZ LYS A 23 12.352 16.173 -4.260 1.00 0.00 N ATOM 0 H LYS A 23 15.801 10.975 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 23 13.590 12.809 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.011 13.000 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.347 12.097 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.290 14.779 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.337 14.563 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.550 13.222 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.503 13.442 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.603 15.693 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.982 15.035 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.337 16.366 -4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.518 15.750 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.885 17.063 -4.336 1.00 0.00 H new ATOM 397 N TRP A 24 11.850 11.120 -2.522 1.00 0.00 N ATOM 398 CA TRP A 24 10.767 10.413 -3.210 1.00 0.00 C ATOM 399 C TRP A 24 10.512 11.091 -4.558 1.00 0.00 C ATOM 400 O TRP A 24 10.272 12.305 -4.610 1.00 0.00 O ATOM 401 CB TRP A 24 9.483 10.392 -2.348 1.00 0.00 C ATOM 402 CG TRP A 24 9.666 9.746 -0.999 1.00 0.00 C ATOM 403 CD1 TRP A 24 9.649 10.363 0.211 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.912 8.362 -0.740 1.00 0.00 C ATOM 405 NE1 TRP A 24 9.849 9.453 1.204 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.018 8.216 0.650 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.046 7.230 -1.543 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.250 6.993 1.255 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.278 6.012 -0.943 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.374 5.903 0.448 1.00 0.00 C ATOM 0 H TRP A 24 11.561 11.584 -1.661 1.00 0.00 H new ATOM 0 HA TRP A 24 11.060 9.376 -3.376 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.135 11.415 -2.206 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.701 9.862 -2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.499 11.422 0.363 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.869 9.662 2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.969 7.307 -2.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.330 6.906 2.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.387 5.129 -1.555 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.550 4.934 0.891 1.00 0.00 H new ATOM 421 N LYS A 25 10.609 10.296 -5.624 1.00 0.00 N ATOM 422 CA LYS A 25 10.551 10.770 -7.001 1.00 0.00 C ATOM 423 C LYS A 25 9.164 11.360 -7.313 1.00 0.00 C ATOM 424 O LYS A 25 8.152 10.654 -7.248 1.00 0.00 O ATOM 425 CB LYS A 25 10.896 9.593 -7.939 1.00 0.00 C ATOM 426 CG LYS A 25 11.064 9.972 -9.419 1.00 0.00 C ATOM 427 CD LYS A 25 11.571 8.790 -10.273 1.00 0.00 C ATOM 428 CE LYS A 25 11.897 9.188 -11.724 1.00 0.00 C ATOM 429 NZ LYS A 25 12.485 8.050 -12.473 1.00 0.00 N ATOM 0 H LYS A 25 10.732 9.286 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 25 11.276 11.570 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.819 9.129 -7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.111 8.841 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.109 10.319 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.764 10.803 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.464 8.371 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.816 8.004 -10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.989 9.526 -12.224 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.593 10.027 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.695 8.347 -13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.363 7.745 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.810 7.259 -12.490 1.00 0.00 H new ATOM 443 N GLY A 26 9.140 12.675 -7.593 1.00 0.00 N ATOM 444 CA GLY A 26 7.905 13.405 -7.908 1.00 0.00 C ATOM 445 C GLY A 26 7.281 14.098 -6.696 1.00 0.00 C ATOM 446 O GLY A 26 6.272 14.800 -6.832 1.00 0.00 O ATOM 0 H GLY A 26 9.976 13.259 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.118 14.151 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.180 12.711 -8.333 1.00 0.00 H new ATOM 450 N PHE A 27 7.876 13.888 -5.508 1.00 0.00 N ATOM 451 CA PHE A 27 7.408 14.476 -4.234 1.00 0.00 C ATOM 452 C PHE A 27 8.400 15.546 -3.751 1.00 0.00 C ATOM 453 O PHE A 27 9.622 15.380 -3.897 1.00 0.00 O ATOM 454 CB PHE A 27 7.247 13.371 -3.159 1.00 0.00 C ATOM 455 CG PHE A 27 6.206 12.296 -3.491 1.00 0.00 C ATOM 456 CD1 PHE A 27 6.553 11.154 -4.217 1.00 0.00 C ATOM 457 CD2 PHE A 27 4.881 12.421 -3.067 1.00 0.00 C ATOM 458 CE1 PHE A 27 5.619 10.173 -4.498 1.00 0.00 C ATOM 459 CE2 PHE A 27 3.944 11.440 -3.350 1.00 0.00 C ATOM 460 CZ PHE A 27 4.312 10.317 -4.067 1.00 0.00 C ATOM 0 H PHE A 27 8.703 13.300 -5.401 1.00 0.00 H new ATOM 0 HA PHE A 27 6.438 14.944 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.212 12.887 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.975 13.841 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.568 11.035 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.582 13.296 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.910 9.294 -5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.925 11.553 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.581 9.554 -4.290 1.00 0.00 H new ATOM 470 N THR A 28 7.853 16.633 -3.175 1.00 0.00 N ATOM 471 CA THR A 28 8.637 17.781 -2.679 1.00 0.00 C ATOM 472 C THR A 28 9.598 17.366 -1.538 1.00 0.00 C ATOM 473 O THR A 28 9.332 16.410 -0.809 1.00 0.00 O ATOM 474 CB THR A 28 7.700 18.959 -2.219 1.00 0.00 C ATOM 475 OG1 THR A 28 8.475 20.064 -1.735 1.00 0.00 O ATOM 476 CG2 THR A 28 6.709 18.533 -1.135 1.00 0.00 C ATOM 0 H THR A 28 6.848 16.740 -3.040 1.00 0.00 H new ATOM 0 HA THR A 28 9.244 18.138 -3.511 1.00 0.00 H new ATOM 0 HB THR A 28 7.131 19.258 -3.099 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.875 20.787 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.088 19.384 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.076 17.731 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.256 18.180 -0.261 1.00 0.00 H new ATOM 484 N ASP A 29 10.711 18.111 -1.408 1.00 0.00 N ATOM 485 CA ASP A 29 11.827 17.778 -0.489 1.00 0.00 C ATOM 486 C ASP A 29 11.443 17.926 0.988 1.00 0.00 C ATOM 487 O ASP A 29 12.063 17.302 1.857 1.00 0.00 O ATOM 488 CB ASP A 29 13.069 18.628 -0.837 1.00 0.00 C ATOM 489 CG ASP A 29 13.631 18.276 -2.223 1.00 0.00 C ATOM 490 OD1 ASP A 29 13.121 18.799 -3.242 1.00 0.00 O ATOM 491 OD2 ASP A 29 14.551 17.434 -2.318 1.00 0.00 O ATOM 0 H ASP A 29 10.867 18.968 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 29 12.067 16.725 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.805 19.685 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.839 18.472 -0.082 1.00 0.00 H new ATOM 496 N ALA A 30 10.419 18.750 1.262 1.00 0.00 N ATOM 497 CA ALA A 30 9.836 18.884 2.613 1.00 0.00 C ATOM 498 C ALA A 30 9.005 17.628 2.976 1.00 0.00 C ATOM 499 O ALA A 30 8.938 17.230 4.145 1.00 0.00 O ATOM 500 CB ALA A 30 8.993 20.166 2.701 1.00 0.00 C ATOM 0 H ALA A 30 9.972 19.340 0.560 1.00 0.00 H new ATOM 0 HA ALA A 30 10.643 18.963 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.568 20.254 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.624 21.031 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.188 20.123 1.967 1.00 0.00 H new ATOM 506 N ASP A 31 8.407 17.001 1.948 1.00 0.00 N ATOM 507 CA ASP A 31 7.621 15.756 2.091 1.00 0.00 C ATOM 508 C ASP A 31 8.540 14.524 2.173 1.00 0.00 C ATOM 509 O ASP A 31 8.184 13.524 2.813 1.00 0.00 O ATOM 510 CB ASP A 31 6.638 15.625 0.898 1.00 0.00 C ATOM 511 CG ASP A 31 5.842 14.308 0.882 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.947 14.129 1.738 1.00 0.00 O ATOM 513 OD2 ASP A 31 6.115 13.449 0.023 1.00 0.00 O ATOM 0 H ASP A 31 8.454 17.343 0.988 1.00 0.00 H new ATOM 0 HA ASP A 31 7.055 15.805 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.938 16.460 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.199 15.709 -0.033 1.00 0.00 H new ATOM 518 N ASN A 32 9.715 14.604 1.514 1.00 0.00 N ATOM 519 CA ASN A 32 10.707 13.513 1.496 1.00 0.00 C ATOM 520 C ASN A 32 11.218 13.198 2.922 1.00 0.00 C ATOM 521 O ASN A 32 11.376 14.112 3.736 1.00 0.00 O ATOM 522 CB ASN A 32 11.866 13.862 0.532 1.00 0.00 C ATOM 523 CG ASN A 32 11.433 14.094 -0.934 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.096 14.812 -1.679 1.00 0.00 O ATOM 525 ND2 ASN A 32 10.330 13.492 -1.370 1.00 0.00 N ATOM 0 H ASN A 32 10.000 15.426 0.981 1.00 0.00 H new ATOM 0 HA ASN A 32 10.224 12.608 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.367 14.759 0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.599 13.055 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.024 13.623 -2.334 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.790 12.899 -0.740 1.00 0.00 H new ATOM 532 N THR A 33 11.467 11.902 3.214 1.00 0.00 N ATOM 533 CA THR A 33 11.627 11.395 4.607 1.00 0.00 C ATOM 534 C THR A 33 12.940 10.606 4.795 1.00 0.00 C ATOM 535 O THR A 33 13.624 10.276 3.821 1.00 0.00 O ATOM 536 CB THR A 33 10.415 10.466 4.995 1.00 0.00 C ATOM 537 OG1 THR A 33 10.314 9.385 4.056 1.00 0.00 O ATOM 538 CG2 THR A 33 9.076 11.223 5.025 1.00 0.00 C ATOM 0 H THR A 33 11.563 11.178 2.501 1.00 0.00 H new ATOM 0 HA THR A 33 11.657 12.269 5.258 1.00 0.00 H new ATOM 0 HB THR A 33 10.611 10.091 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.352 8.531 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.275 10.535 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.129 12.027 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.873 11.643 4.040 1.00 0.00 H new ATOM 546 N TRP A 34 13.270 10.307 6.071 1.00 0.00 N ATOM 547 CA TRP A 34 14.412 9.449 6.443 1.00 0.00 C ATOM 548 C TRP A 34 13.969 7.978 6.481 1.00 0.00 C ATOM 549 O TRP A 34 13.129 7.600 7.308 1.00 0.00 O ATOM 550 CB TRP A 34 14.983 9.841 7.835 1.00 0.00 C ATOM 551 CG TRP A 34 15.685 11.174 7.869 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.160 12.379 8.239 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.048 11.427 7.504 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.116 13.355 8.138 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.280 12.798 7.683 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.088 10.620 7.050 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.513 13.384 7.417 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.310 11.197 6.779 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.514 12.568 6.966 1.00 0.00 C ATOM 0 H TRP A 34 12.748 10.657 6.874 1.00 0.00 H new ATOM 0 HA TRP A 34 15.191 9.588 5.694 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.167 9.856 8.557 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.681 9.069 8.158 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.142 12.539 8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 34 15.981 14.340 8.366 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.939 9.559 6.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.674 14.442 7.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.121 10.582 6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.483 12.992 6.749 1.00 0.00 H new ATOM 570 N GLU A 35 14.523 7.165 5.574 1.00 0.00 N ATOM 571 CA GLU A 35 14.314 5.714 5.555 1.00 0.00 C ATOM 572 C GLU A 35 15.657 4.992 5.763 1.00 0.00 C ATOM 573 O GLU A 35 16.637 5.320 5.079 1.00 0.00 O ATOM 574 CB GLU A 35 13.710 5.259 4.208 1.00 0.00 C ATOM 575 CG GLU A 35 12.353 5.873 3.832 1.00 0.00 C ATOM 576 CD GLU A 35 11.268 5.697 4.907 1.00 0.00 C ATOM 577 OE1 GLU A 35 11.228 4.636 5.564 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.428 6.606 5.076 1.00 0.00 O ATOM 0 H GLU A 35 15.133 7.499 4.828 1.00 0.00 H new ATOM 0 HA GLU A 35 13.621 5.463 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.423 5.492 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.601 4.175 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.488 6.937 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.006 5.421 2.903 1.00 0.00 H new ATOM 585 N PRO A 36 15.732 3.992 6.688 1.00 0.00 N ATOM 586 CA PRO A 36 16.945 3.174 6.863 1.00 0.00 C ATOM 587 C PRO A 36 17.159 2.191 5.692 1.00 0.00 C ATOM 588 O PRO A 36 16.197 1.780 5.043 1.00 0.00 O ATOM 589 CB PRO A 36 16.690 2.441 8.198 1.00 0.00 C ATOM 590 CG PRO A 36 15.196 2.337 8.293 1.00 0.00 C ATOM 591 CD PRO A 36 14.651 3.587 7.631 1.00 0.00 C ATOM 0 HA PRO A 36 17.857 3.771 6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.157 1.456 8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.103 2.996 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.834 1.440 7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.874 2.273 9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.717 3.387 7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.444 4.369 8.362 1.00 0.00 H new ATOM 599 N GLU A 37 18.431 1.813 5.462 1.00 0.00 N ATOM 600 CA GLU A 37 18.842 0.860 4.389 1.00 0.00 C ATOM 601 C GLU A 37 18.116 -0.498 4.506 1.00 0.00 C ATOM 602 O GLU A 37 17.839 -1.155 3.495 1.00 0.00 O ATOM 603 CB GLU A 37 20.399 0.661 4.376 1.00 0.00 C ATOM 604 CG GLU A 37 21.117 0.746 5.747 1.00 0.00 C ATOM 605 CD GLU A 37 20.608 -0.226 6.812 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.999 -1.410 6.784 1.00 0.00 O ATOM 607 OE2 GLU A 37 19.787 0.181 7.664 1.00 0.00 O ATOM 0 H GLU A 37 19.216 2.158 6.015 1.00 0.00 H new ATOM 0 HA GLU A 37 18.544 1.304 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.615 -0.313 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.834 1.412 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 37 22.181 0.566 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 37 21.017 1.762 6.129 1.00 0.00 H new ATOM 614 N GLU A 38 17.788 -0.875 5.753 1.00 0.00 N ATOM 615 CA GLU A 38 17.118 -2.143 6.090 1.00 0.00 C ATOM 616 C GLU A 38 15.636 -2.145 5.623 1.00 0.00 C ATOM 617 O GLU A 38 14.962 -3.178 5.689 1.00 0.00 O ATOM 618 CB GLU A 38 17.196 -2.365 7.629 1.00 0.00 C ATOM 619 CG GLU A 38 16.421 -1.305 8.442 1.00 0.00 C ATOM 620 CD GLU A 38 16.509 -1.477 9.966 1.00 0.00 C ATOM 621 OE1 GLU A 38 15.997 -2.491 10.487 1.00 0.00 O ATOM 622 OE2 GLU A 38 17.048 -0.584 10.656 1.00 0.00 O ATOM 0 H GLU A 38 17.984 -0.297 6.570 1.00 0.00 H new ATOM 0 HA GLU A 38 17.626 -2.955 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 38 16.802 -3.353 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.241 -2.356 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.799 -0.317 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.372 -1.335 8.146 1.00 0.00 H new ATOM 629 N ASN A 39 15.142 -0.978 5.171 1.00 0.00 N ATOM 630 CA ASN A 39 13.736 -0.768 4.790 1.00 0.00 C ATOM 631 C ASN A 39 13.619 -0.450 3.274 1.00 0.00 C ATOM 632 O ASN A 39 12.507 -0.371 2.729 1.00 0.00 O ATOM 633 CB ASN A 39 13.171 0.401 5.659 1.00 0.00 C ATOM 634 CG ASN A 39 11.661 0.572 5.563 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.929 -0.396 5.386 1.00 0.00 O ATOM 636 ND2 ASN A 39 11.186 1.793 5.678 1.00 0.00 N ATOM 0 H ASN A 39 15.718 -0.143 5.059 1.00 0.00 H new ATOM 0 HA ASN A 39 13.157 -1.674 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.441 0.229 6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.651 1.331 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.181 1.957 5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.823 2.576 5.825 1.00 0.00 H new ATOM 643 N LEU A 40 14.771 -0.265 2.594 1.00 0.00 N ATOM 644 CA LEU A 40 14.812 0.133 1.163 1.00 0.00 C ATOM 645 C LEU A 40 14.742 -1.077 0.228 1.00 0.00 C ATOM 646 O LEU A 40 15.313 -2.124 0.519 1.00 0.00 O ATOM 647 CB LEU A 40 16.097 0.964 0.852 1.00 0.00 C ATOM 648 CG LEU A 40 16.370 2.176 1.798 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.436 3.138 1.234 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.071 2.910 2.135 1.00 0.00 C ATOM 0 H LEU A 40 15.693 -0.385 3.013 1.00 0.00 H new ATOM 0 HA LEU A 40 13.932 0.751 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 16.957 0.296 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.028 1.334 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 40 16.780 1.773 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.587 3.962 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.375 2.601 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.100 3.531 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.288 3.750 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.613 3.279 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.385 2.225 2.633 1.00 0.00 H new ATOM 662 N ASP A 41 14.039 -0.913 -0.906 1.00 0.00 N ATOM 663 CA ASP A 41 14.014 -1.918 -1.993 1.00 0.00 C ATOM 664 C ASP A 41 15.098 -1.598 -3.043 1.00 0.00 C ATOM 665 O ASP A 41 15.316 -2.381 -3.971 1.00 0.00 O ATOM 666 CB ASP A 41 12.623 -1.968 -2.680 1.00 0.00 C ATOM 667 CG ASP A 41 11.474 -2.299 -1.716 1.00 0.00 C ATOM 668 OD1 ASP A 41 11.393 -3.451 -1.249 1.00 0.00 O ATOM 669 OD2 ASP A 41 10.637 -1.417 -1.424 1.00 0.00 O ATOM 0 H ASP A 41 13.474 -0.086 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 41 14.216 -2.893 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.425 -1.005 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.646 -2.714 -3.475 1.00 0.00 H new ATOM 674 N CYS A 42 15.762 -0.437 -2.880 1.00 0.00 N ATOM 675 CA CYS A 42 16.764 0.077 -3.823 1.00 0.00 C ATOM 676 C CYS A 42 18.197 -0.050 -3.242 1.00 0.00 C ATOM 677 O CYS A 42 18.608 0.793 -2.437 1.00 0.00 O ATOM 678 CB CYS A 42 16.431 1.553 -4.135 1.00 0.00 C ATOM 679 SG CYS A 42 16.302 2.625 -2.681 1.00 0.00 S ATOM 0 H CYS A 42 15.613 0.175 -2.078 1.00 0.00 H new ATOM 0 HA CYS A 42 16.735 -0.512 -4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.200 1.952 -4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.489 1.591 -4.682 1.00 0.00 H new ATOM 0 HG CYS A 42 17.319 2.418 -1.898 1.00 0.00 H new ATOM 685 N PRO A 43 18.982 -1.116 -3.623 1.00 0.00 N ATOM 686 CA PRO A 43 20.412 -1.234 -3.226 1.00 0.00 C ATOM 687 C PRO A 43 21.313 -0.288 -4.051 1.00 0.00 C ATOM 688 O PRO A 43 22.363 0.159 -3.575 1.00 0.00 O ATOM 689 CB PRO A 43 20.730 -2.724 -3.510 1.00 0.00 C ATOM 690 CG PRO A 43 19.814 -3.095 -4.643 1.00 0.00 C ATOM 691 CD PRO A 43 18.542 -2.295 -4.428 1.00 0.00 C ATOM 0 HA PRO A 43 20.593 -0.950 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.776 -2.861 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.546 -3.343 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.267 -2.857 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.607 -4.165 -4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.100 -1.988 -5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.789 -2.879 -3.900 1.00 0.00 H new ATOM 699 N GLU A 44 20.857 0.023 -5.288 1.00 0.00 N ATOM 700 CA GLU A 44 21.592 0.869 -6.242 1.00 0.00 C ATOM 701 C GLU A 44 21.811 2.283 -5.676 1.00 0.00 C ATOM 702 O GLU A 44 22.917 2.797 -5.725 1.00 0.00 O ATOM 703 CB GLU A 44 20.827 0.971 -7.593 1.00 0.00 C ATOM 704 CG GLU A 44 21.575 1.779 -8.681 1.00 0.00 C ATOM 705 CD GLU A 44 20.697 2.150 -9.883 1.00 0.00 C ATOM 706 OE1 GLU A 44 20.055 3.221 -9.843 1.00 0.00 O ATOM 707 OE2 GLU A 44 20.648 1.385 -10.871 1.00 0.00 O ATOM 0 H GLU A 44 19.963 -0.311 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 44 22.562 0.401 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.637 -0.035 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.856 1.433 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.971 2.692 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 44 22.428 1.198 -9.031 1.00 0.00 H new ATOM 714 N LEU A 45 20.740 2.882 -5.126 1.00 0.00 N ATOM 715 CA LEU A 45 20.757 4.277 -4.624 1.00 0.00 C ATOM 716 C LEU A 45 21.585 4.409 -3.335 1.00 0.00 C ATOM 717 O LEU A 45 22.164 5.468 -3.075 1.00 0.00 O ATOM 718 CB LEU A 45 19.309 4.777 -4.394 1.00 0.00 C ATOM 719 CG LEU A 45 18.384 4.750 -5.649 1.00 0.00 C ATOM 720 CD1 LEU A 45 16.971 5.258 -5.312 1.00 0.00 C ATOM 721 CD2 LEU A 45 19.003 5.544 -6.820 1.00 0.00 C ATOM 0 H LEU A 45 19.838 2.418 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 45 21.234 4.899 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.852 4.168 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.351 5.799 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 45 18.293 3.712 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.350 5.227 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.530 4.624 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.030 6.283 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.334 5.506 -7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.149 6.582 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.964 5.106 -7.089 1.00 0.00 H new ATOM 733 N ILE A 46 21.631 3.324 -2.541 1.00 0.00 N ATOM 734 CA ILE A 46 22.456 3.255 -1.320 1.00 0.00 C ATOM 735 C ILE A 46 23.949 3.299 -1.704 1.00 0.00 C ATOM 736 O ILE A 46 24.691 4.168 -1.238 1.00 0.00 O ATOM 737 CB ILE A 46 22.148 1.950 -0.497 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.639 1.897 -0.106 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.056 1.839 0.754 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.213 0.623 0.608 1.00 0.00 C ATOM 0 H ILE A 46 21.100 2.473 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 46 22.214 4.112 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 46 22.368 1.091 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.413 2.749 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.039 2.009 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.815 0.926 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.101 1.812 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 46 22.891 2.701 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.149 0.675 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.402 -0.236 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 46 20.782 0.516 1.532 1.00 0.00 H new ATOM 752 N GLU A 47 24.337 2.368 -2.605 1.00 0.00 N ATOM 753 CA GLU A 47 25.704 2.266 -3.164 1.00 0.00 C ATOM 754 C GLU A 47 26.111 3.605 -3.774 1.00 0.00 C ATOM 755 O GLU A 47 27.129 4.176 -3.409 1.00 0.00 O ATOM 756 CB GLU A 47 25.741 1.146 -4.257 1.00 0.00 C ATOM 757 CG GLU A 47 27.144 0.715 -4.772 1.00 0.00 C ATOM 758 CD GLU A 47 27.928 1.756 -5.610 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.402 2.220 -6.644 1.00 0.00 O ATOM 760 OE2 GLU A 47 29.085 2.083 -5.258 1.00 0.00 O ATOM 0 H GLU A 47 23.702 1.658 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 47 26.404 2.011 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.240 0.264 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.155 1.485 -5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.754 0.443 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.023 -0.185 -5.374 1.00 0.00 H new ATOM 767 N ALA A 48 25.248 4.099 -4.672 1.00 0.00 N ATOM 768 CA ALA A 48 25.549 5.228 -5.558 1.00 0.00 C ATOM 769 C ALA A 48 25.731 6.533 -4.775 1.00 0.00 C ATOM 770 O ALA A 48 26.518 7.383 -5.178 1.00 0.00 O ATOM 771 CB ALA A 48 24.457 5.407 -6.626 1.00 0.00 C ATOM 0 H ALA A 48 24.310 3.720 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 48 26.490 4.994 -6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.710 6.252 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.387 4.502 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.500 5.594 -6.140 1.00 0.00 H new ATOM 777 N PHE A 49 24.984 6.680 -3.661 1.00 0.00 N ATOM 778 CA PHE A 49 25.127 7.830 -2.750 1.00 0.00 C ATOM 779 C PHE A 49 26.507 7.804 -2.073 1.00 0.00 C ATOM 780 O PHE A 49 27.226 8.808 -2.087 1.00 0.00 O ATOM 781 CB PHE A 49 24.002 7.841 -1.684 1.00 0.00 C ATOM 782 CG PHE A 49 24.174 8.947 -0.641 1.00 0.00 C ATOM 783 CD1 PHE A 49 23.903 10.278 -0.961 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.657 8.665 0.640 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.100 11.281 -0.035 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.861 9.672 1.556 1.00 0.00 C ATOM 787 CZ PHE A 49 24.581 10.979 1.221 1.00 0.00 C ATOM 0 H PHE A 49 24.271 6.010 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 49 25.041 8.743 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.040 7.965 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 49 23.978 6.875 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.535 10.526 -1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.873 7.643 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.877 12.305 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.241 9.437 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.738 11.767 1.943 1.00 0.00 H new ATOM 797 N LEU A 50 26.859 6.637 -1.499 1.00 0.00 N ATOM 798 CA LEU A 50 28.146 6.440 -0.798 1.00 0.00 C ATOM 799 C LEU A 50 29.322 6.613 -1.782 1.00 0.00 C ATOM 800 O LEU A 50 30.399 7.101 -1.419 1.00 0.00 O ATOM 801 CB LEU A 50 28.183 5.041 -0.128 1.00 0.00 C ATOM 802 CG LEU A 50 27.012 4.726 0.861 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.138 3.312 1.463 1.00 0.00 C ATOM 804 CD2 LEU A 50 26.898 5.794 1.962 1.00 0.00 C ATOM 0 H LEU A 50 26.264 5.808 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 50 28.243 7.194 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.184 4.284 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.125 4.943 0.412 1.00 0.00 H new ATOM 0 HG LEU A 50 26.089 4.752 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.307 3.131 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.118 2.573 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.078 3.231 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.074 5.542 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.827 5.831 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.712 6.767 1.507 1.00 0.00 H new ATOM 816 N ASN A 51 29.061 6.233 -3.039 1.00 0.00 N ATOM 817 CA ASN A 51 30.002 6.351 -4.166 1.00 0.00 C ATOM 818 C ASN A 51 30.157 7.831 -4.551 1.00 0.00 C ATOM 819 O ASN A 51 31.263 8.296 -4.837 1.00 0.00 O ATOM 820 CB ASN A 51 29.461 5.506 -5.360 1.00 0.00 C ATOM 821 CG ASN A 51 30.428 5.311 -6.538 1.00 0.00 C ATOM 822 OD1 ASN A 51 31.252 6.168 -6.857 1.00 0.00 O ATOM 823 ND2 ASN A 51 30.320 4.159 -7.196 1.00 0.00 N ATOM 0 H ASN A 51 28.167 5.824 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 51 30.985 5.972 -3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.174 4.524 -4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 51 28.554 5.981 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 51 30.931 3.966 -7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 51 29.627 3.469 -6.906 1.00 0.00 H new ATOM 830 N SER A 52 29.027 8.563 -4.513 1.00 0.00 N ATOM 831 CA SER A 52 28.965 9.983 -4.893 1.00 0.00 C ATOM 832 C SER A 52 29.679 10.871 -3.857 1.00 0.00 C ATOM 833 O SER A 52 30.183 11.944 -4.210 1.00 0.00 O ATOM 834 CB SER A 52 27.494 10.430 -5.056 1.00 0.00 C ATOM 835 OG SER A 52 27.399 11.746 -5.571 1.00 0.00 O ATOM 0 H SER A 52 28.129 8.182 -4.216 1.00 0.00 H new ATOM 0 HA SER A 52 29.480 10.098 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 52 26.976 9.740 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 52 26.990 10.380 -4.091 1.00 0.00 H new ATOM 0 HG SER A 52 26.455 11.994 -5.662 1.00 0.00 H new ATOM 841 N GLN A 53 29.724 10.412 -2.579 1.00 0.00 N ATOM 842 CA GLN A 53 30.464 11.111 -1.503 1.00 0.00 C ATOM 843 C GLN A 53 31.966 11.178 -1.847 1.00 0.00 C ATOM 844 O GLN A 53 32.658 12.113 -1.445 1.00 0.00 O ATOM 845 CB GLN A 53 30.261 10.429 -0.119 1.00 0.00 C ATOM 846 CG GLN A 53 28.788 10.287 0.321 1.00 0.00 C ATOM 847 CD GLN A 53 28.612 9.913 1.795 1.00 0.00 C ATOM 848 OE1 GLN A 53 28.458 10.782 2.652 1.00 0.00 O ATOM 849 NE2 GLN A 53 28.660 8.629 2.102 1.00 0.00 N ATOM 0 H GLN A 53 29.255 9.560 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 53 30.063 12.122 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.714 9.438 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.798 11.004 0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.270 11.227 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.307 9.528 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.789 7.933 1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.568 8.333 3.074 1.00 0.00 H new ATOM 858 N LYS A 54 32.447 10.171 -2.608 1.00 0.00 N ATOM 859 CA LYS A 54 33.820 10.141 -3.126 1.00 0.00 C ATOM 860 C LYS A 54 33.913 11.000 -4.411 1.00 0.00 C ATOM 861 O LYS A 54 34.448 12.129 -4.352 1.00 0.00 O ATOM 862 CB LYS A 54 34.272 8.668 -3.376 1.00 0.00 C ATOM 863 CG LYS A 54 34.139 7.701 -2.162 1.00 0.00 C ATOM 864 CD LYS A 54 35.251 7.819 -1.063 1.00 0.00 C ATOM 865 CE LYS A 54 35.131 9.044 -0.117 1.00 0.00 C ATOM 866 NZ LYS A 54 35.851 10.243 -0.620 1.00 0.00 N ATOM 867 OXT LYS A 54 33.401 10.573 -5.467 1.00 0.00 O ATOM 0 H LYS A 54 31.890 9.360 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 54 34.499 10.568 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 33.688 8.264 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 35.314 8.677 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 54 33.171 7.872 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 54 34.134 6.678 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 54 35.237 6.912 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 54 36.222 7.857 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 54 34.078 9.290 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 54 35.523 8.777 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 36.642 10.466 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 36.218 10.053 -1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 35.197 11.051 -0.656 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 16.614 -0.996 -17.093 1.00 0.00 N ATOM 883 CA ALA B 1 16.409 -1.184 -15.635 1.00 0.00 C ATOM 884 C ALA B 1 17.015 -2.523 -15.182 1.00 0.00 C ATOM 885 O ALA B 1 16.828 -3.542 -15.852 1.00 0.00 O ATOM 886 CB ALA B 1 14.909 -1.124 -15.305 1.00 0.00 C ATOM 0 H1 ALA B 1 15.772 -0.546 -17.507 1.00 0.00 H new ATOM 0 H2 ALA B 1 17.444 -0.389 -17.252 1.00 0.00 H new ATOM 0 H3 ALA B 1 16.770 -1.920 -17.544 1.00 0.00 H new ATOM 0 HA ALA B 1 16.914 -0.382 -15.097 1.00 0.00 H new ATOM 0 HB1 ALA B 1 14.766 -1.263 -14.233 1.00 0.00 H new ATOM 0 HB2 ALA B 1 14.510 -0.154 -15.602 1.00 0.00 H new ATOM 0 HB3 ALA B 1 14.386 -1.913 -15.846 1.00 0.00 H new ATOM 894 N ARG B 2 17.746 -2.511 -14.046 1.00 0.00 N ATOM 895 CA ARG B 2 18.384 -3.722 -13.475 1.00 0.00 C ATOM 896 C ARG B 2 17.697 -4.074 -12.146 1.00 0.00 C ATOM 897 O ARG B 2 17.025 -5.101 -12.021 1.00 0.00 O ATOM 898 CB ARG B 2 19.921 -3.526 -13.237 1.00 0.00 C ATOM 899 CG ARG B 2 20.730 -2.987 -14.446 1.00 0.00 C ATOM 900 CD ARG B 2 20.668 -1.446 -14.586 1.00 0.00 C ATOM 901 NE ARG B 2 21.246 -0.753 -13.411 1.00 0.00 N ATOM 902 CZ ARG B 2 22.553 -0.558 -13.192 1.00 0.00 C ATOM 903 NH1 ARG B 2 23.460 -0.959 -14.070 1.00 0.00 N ATOM 904 NH2 ARG B 2 22.955 0.045 -12.087 1.00 0.00 N ATOM 0 H ARG B 2 17.911 -1.666 -13.499 1.00 0.00 H new ATOM 0 HA ARG B 2 18.266 -4.533 -14.194 1.00 0.00 H new ATOM 0 HB2 ARG B 2 20.055 -2.841 -12.400 1.00 0.00 H new ATOM 0 HB3 ARG B 2 20.348 -4.483 -12.937 1.00 0.00 H new ATOM 0 HG2 ARG B 2 21.771 -3.294 -14.344 1.00 0.00 H new ATOM 0 HG3 ARG B 2 20.351 -3.444 -15.360 1.00 0.00 H new ATOM 0 HD2 ARG B 2 21.205 -1.143 -15.485 1.00 0.00 H new ATOM 0 HD3 ARG B 2 19.631 -1.136 -14.714 1.00 0.00 H new ATOM 0 HE ARG B 2 20.595 -0.395 -12.712 1.00 0.00 H new ATOM 0 HH11 ARG B 2 23.167 -1.424 -14.929 1.00 0.00 H new ATOM 0 HH12 ARG B 2 24.451 -0.802 -13.887 1.00 0.00 H new ATOM 0 HH21 ARG B 2 22.270 0.362 -11.401 1.00 0.00 H new ATOM 0 HH22 ARG B 2 23.950 0.193 -11.920 1.00 0.00 H new ATOM 918 N THR B 3 17.862 -3.177 -11.169 1.00 0.00 N ATOM 919 CA THR B 3 17.264 -3.288 -9.833 1.00 0.00 C ATOM 920 C THR B 3 16.067 -2.316 -9.711 1.00 0.00 C ATOM 921 O THR B 3 15.983 -1.328 -10.457 1.00 0.00 O ATOM 922 CB THR B 3 18.346 -2.989 -8.738 1.00 0.00 C ATOM 923 OG1 THR B 3 19.020 -1.752 -9.031 1.00 0.00 O ATOM 924 CG2 THR B 3 19.390 -4.113 -8.638 1.00 0.00 C ATOM 0 H THR B 3 18.427 -2.336 -11.286 1.00 0.00 H new ATOM 0 HA THR B 3 16.897 -4.303 -9.682 1.00 0.00 H new ATOM 0 HB THR B 3 17.824 -2.918 -7.784 1.00 0.00 H new ATOM 0 HG1 THR B 3 19.989 -1.890 -8.990 1.00 0.00 H new ATOM 0 HG21 THR B 3 20.120 -3.864 -7.868 1.00 0.00 H new ATOM 0 HG22 THR B 3 18.894 -5.048 -8.379 1.00 0.00 H new ATOM 0 HG23 THR B 3 19.898 -4.224 -9.596 1.00 0.00 H new ATOM 932 N LYS B 4 15.150 -2.614 -8.776 1.00 0.00 N ATOM 933 CA LYS B 4 13.923 -1.825 -8.550 1.00 0.00 C ATOM 934 C LYS B 4 14.186 -0.686 -7.534 1.00 0.00 C ATOM 935 O LYS B 4 14.277 -0.922 -6.321 1.00 0.00 O ATOM 936 CB LYS B 4 12.789 -2.766 -8.050 1.00 0.00 C ATOM 937 CG LYS B 4 11.403 -2.099 -7.894 1.00 0.00 C ATOM 938 CD LYS B 4 10.333 -3.051 -7.291 1.00 0.00 C ATOM 939 CE LYS B 4 10.081 -4.313 -8.142 1.00 0.00 C ATOM 940 NZ LYS B 4 9.021 -5.181 -7.565 1.00 0.00 N ATOM 0 H LYS B 4 15.238 -3.415 -8.150 1.00 0.00 H new ATOM 0 HA LYS B 4 13.613 -1.365 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.697 -3.600 -8.746 1.00 0.00 H new ATOM 0 HB3 LYS B 4 13.084 -3.185 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS B 4 11.499 -1.220 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS B 4 11.062 -1.750 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.649 -3.353 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.396 -2.506 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.795 -4.017 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS B 4 11.007 -4.882 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 8.888 -6.015 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.303 -5.487 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 8.129 -4.649 -7.508 1.00 0.00 H new ATOM 954 N GLN B 5 14.331 0.552 -8.052 1.00 0.00 N ATOM 955 CA GLN B 5 14.538 1.767 -7.235 1.00 0.00 C ATOM 956 C GLN B 5 13.218 2.238 -6.605 1.00 0.00 C ATOM 957 O GLN B 5 12.549 3.149 -7.111 1.00 0.00 O ATOM 958 CB GLN B 5 15.190 2.916 -8.069 1.00 0.00 C ATOM 959 CG GLN B 5 16.706 2.773 -8.322 1.00 0.00 C ATOM 960 CD GLN B 5 17.095 1.520 -9.088 1.00 0.00 C ATOM 961 OE1 GLN B 5 17.119 1.516 -10.308 1.00 0.00 O ATOM 962 NE2 GLN B 5 17.372 0.448 -8.373 1.00 0.00 N ATOM 0 H GLN B 5 14.308 0.738 -9.055 1.00 0.00 H new ATOM 0 HA GLN B 5 15.228 1.506 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.682 2.976 -9.032 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.012 3.861 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.054 3.646 -8.874 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.225 2.775 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN B 5 17.341 0.492 -7.354 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.618 -0.426 -8.838 1.00 0.00 H new ATOM 971 N THR B 6 12.848 1.579 -5.502 1.00 0.00 N ATOM 972 CA THR B 6 11.635 1.883 -4.730 1.00 0.00 C ATOM 973 C THR B 6 11.928 1.710 -3.235 1.00 0.00 C ATOM 974 O THR B 6 13.035 1.303 -2.844 1.00 0.00 O ATOM 975 CB THR B 6 10.434 0.953 -5.143 1.00 0.00 C ATOM 976 OG1 THR B 6 10.835 -0.425 -5.080 1.00 0.00 O ATOM 977 CG2 THR B 6 9.910 1.275 -6.554 1.00 0.00 C ATOM 0 H THR B 6 13.390 0.807 -5.113 1.00 0.00 H new ATOM 0 HA THR B 6 11.348 2.913 -4.942 1.00 0.00 H new ATOM 0 HB THR B 6 9.623 1.137 -4.438 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.082 -0.997 -5.337 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.082 0.608 -6.796 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.565 2.309 -6.587 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.711 1.136 -7.280 1.00 0.00 H new ATOM 985 N ALA B 7 10.924 2.032 -2.418 1.00 0.00 N ATOM 986 CA ALA B 7 10.958 1.820 -0.977 1.00 0.00 C ATOM 987 C ALA B 7 9.552 1.972 -0.389 1.00 0.00 C ATOM 988 O ALA B 7 8.570 2.325 -1.097 1.00 0.00 O ATOM 989 CB ALA B 7 11.969 2.753 -0.284 1.00 0.00 C ATOM 0 H ALA B 7 10.055 2.453 -2.746 1.00 0.00 H new ATOM 0 HA ALA B 7 11.299 0.802 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA B 7 11.963 2.563 0.789 1.00 0.00 H new ATOM 0 HB2 ALA B 7 12.967 2.566 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.693 3.791 -0.470 1.00 0.00 H new ATOM 995 N ARG B 8 9.474 1.679 0.903 1.00 0.00 N ATOM 996 CA ARG B 8 8.247 1.705 1.685 1.00 0.00 C ATOM 997 C ARG B 8 8.531 2.561 2.918 1.00 0.00 C ATOM 998 O ARG B 8 9.566 2.366 3.566 1.00 0.00 O ATOM 999 CB ARG B 8 7.882 0.254 2.077 1.00 0.00 C ATOM 1000 CG ARG B 8 6.477 0.063 2.675 1.00 0.00 C ATOM 1001 CD ARG B 8 6.149 -1.419 2.962 1.00 0.00 C ATOM 1002 NE ARG B 8 4.707 -1.634 3.163 1.00 0.00 N ATOM 1003 CZ ARG B 8 4.148 -2.460 4.056 1.00 0.00 C ATOM 1004 NH1 ARG B 8 4.889 -3.187 4.892 1.00 0.00 N ATOM 1005 NH2 ARG B 8 2.835 -2.549 4.103 1.00 0.00 N ATOM 0 H ARG B 8 10.290 1.408 1.452 1.00 0.00 H new ATOM 0 HA ARG B 8 7.407 2.124 1.131 1.00 0.00 H new ATOM 0 HB2 ARG B 8 7.970 -0.376 1.192 1.00 0.00 H new ATOM 0 HB3 ARG B 8 8.617 -0.105 2.798 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.399 0.634 3.600 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.735 0.469 1.987 1.00 0.00 H new ATOM 0 HD2 ARG B 8 6.495 -2.035 2.132 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.692 -1.746 3.849 1.00 0.00 H new ATOM 0 HE ARG B 8 4.073 -1.103 2.565 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.906 -3.121 4.860 1.00 0.00 H new ATOM 0 HH12 ARG B 8 4.439 -3.809 5.563 1.00 0.00 H new ATOM 0 HH21 ARG B 8 2.263 -1.994 3.466 1.00 0.00 H new ATOM 0 HH22 ARG B 8 2.390 -3.173 4.776 1.00 0.00 H new HETATM 1019 N M3L B 9 7.640 3.507 3.229 1.00 0.00 N HETATM 1020 CA M3L B 9 7.840 4.436 4.348 1.00 0.00 C HETATM 1021 CB M3L B 9 6.893 5.651 4.222 1.00 0.00 C HETATM 1022 CG M3L B 9 7.070 6.404 2.891 1.00 0.00 C HETATM 1023 CD M3L B 9 6.253 7.709 2.804 1.00 0.00 C HETATM 1024 CE M3L B 9 6.375 8.354 1.401 1.00 0.00 C HETATM 1025 NZ M3L B 9 5.715 9.741 1.267 1.00 0.00 N HETATM 1026 C M3L B 9 7.643 3.704 5.679 1.00 0.00 C HETATM 1027 O M3L B 9 6.674 2.948 5.844 1.00 0.00 O HETATM 1028 CM1 M3L B 9 5.873 10.224 -0.184 1.00 0.00 C HETATM 1029 CM2 M3L B 9 6.400 10.738 2.215 1.00 0.00 C HETATM 1030 CM3 M3L B 9 4.222 9.657 1.609 1.00 0.00 C HETATM 0 HM33 M3L B 9 3.731 8.963 0.927 1.00 0.00 H new HETATM 0 HM32 M3L B 9 4.103 9.305 2.634 1.00 0.00 H new HETATM 0 HM31 M3L B 9 3.770 10.644 1.510 1.00 0.00 H new HETATM 0 HM23 M3L B 9 6.300 10.390 3.243 1.00 0.00 H new HETATM 0 HM22 M3L B 9 7.457 10.816 1.959 1.00 0.00 H new HETATM 0 HM21 M3L B 9 5.930 11.716 2.116 1.00 0.00 H new HETATM 0 HM13 M3L B 9 6.932 10.293 -0.431 1.00 0.00 H new HETATM 0 HM12 M3L B 9 5.389 9.517 -0.858 1.00 0.00 H new HETATM 0 HM11 M3L B 9 5.410 11.205 -0.293 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.126 6.637 2.753 1.00 0.00 H new HETATM 0 HG2 M3L B 9 6.779 5.748 2.071 1.00 0.00 H new HETATM 0 HE3 M3L B 9 7.432 8.444 1.149 1.00 0.00 H new HETATM 0 HE2 M3L B 9 5.928 7.682 0.668 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.205 7.500 3.021 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.602 8.411 3.561 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.860 5.313 4.309 1.00 0.00 H new HETATM 0 HB2 M3L B 9 7.075 6.336 5.050 1.00 0.00 H new HETATM 0 HA M3L B 9 8.862 4.814 4.319 1.00 0.00 H new HETATM 0 H M3L B 9 6.947 3.716 2.510 1.00 0.00 H new ATOM 1050 N SER B 10 8.595 3.918 6.601 1.00 0.00 N ATOM 1051 CA SER B 10 8.590 3.288 7.927 1.00 0.00 C ATOM 1052 C SER B 10 7.421 3.847 8.758 1.00 0.00 C ATOM 1053 O SER B 10 7.524 4.918 9.376 1.00 0.00 O ATOM 1054 CB SER B 10 9.955 3.512 8.634 1.00 0.00 C ATOM 1055 OG SER B 10 10.055 2.807 9.874 1.00 0.00 O ATOM 0 H SER B 10 9.392 4.535 6.445 1.00 0.00 H new ATOM 0 HA SER B 10 8.449 2.212 7.822 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.760 3.191 7.972 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.096 4.578 8.814 1.00 0.00 H new ATOM 0 HG SER B 10 10.931 2.979 10.278 1.00 0.00 H new ATOM 1061 N THR B 11 6.291 3.116 8.713 1.00 0.00 N ATOM 1062 CA THR B 11 5.038 3.491 9.389 1.00 0.00 C ATOM 1063 C THR B 11 5.156 3.351 10.927 1.00 0.00 C ATOM 1064 O THR B 11 4.362 3.927 11.678 1.00 0.00 O ATOM 1065 CB THR B 11 3.836 2.632 8.845 1.00 0.00 C ATOM 1066 OG1 THR B 11 2.588 3.094 9.398 1.00 0.00 O ATOM 1067 CG2 THR B 11 3.996 1.127 9.149 1.00 0.00 C ATOM 0 H THR B 11 6.224 2.237 8.199 1.00 0.00 H new ATOM 0 HA THR B 11 4.845 4.541 9.167 1.00 0.00 H new ATOM 0 HB THR B 11 3.835 2.759 7.762 1.00 0.00 H new ATOM 0 HG1 THR B 11 1.853 2.549 9.047 1.00 0.00 H new ATOM 0 HG21 THR B 11 3.139 0.582 8.752 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.909 0.757 8.683 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.053 0.978 10.227 1.00 0.00 H new ATOM 1075 N GLY B 12 6.176 2.590 11.372 1.00 0.00 N ATOM 1076 CA GLY B 12 6.395 2.291 12.783 1.00 0.00 C ATOM 1077 C GLY B 12 6.198 0.815 13.075 1.00 0.00 C ATOM 1078 O GLY B 12 5.564 0.100 12.285 1.00 0.00 O ATOM 0 H GLY B 12 6.868 2.169 10.753 1.00 0.00 H new ATOM 0 HA2 GLY B 12 7.405 2.588 13.067 1.00 0.00 H new ATOM 0 HA3 GLY B 12 5.708 2.878 13.392 1.00 0.00 H new ATOM 1082 N GLY B 13 6.753 0.359 14.207 1.00 0.00 N ATOM 1083 CA GLY B 13 6.696 -1.047 14.590 1.00 0.00 C ATOM 1084 C GLY B 13 7.719 -1.898 13.836 1.00 0.00 C ATOM 1085 O GLY B 13 7.520 -3.103 13.666 1.00 0.00 O ATOM 0 H GLY B 13 7.248 0.953 14.873 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.872 -1.136 15.662 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.695 -1.433 14.399 1.00 0.00 H new ATOM 1089 N LYS B 14 8.818 -1.254 13.384 1.00 0.00 N ATOM 1090 CA LYS B 14 9.912 -1.925 12.661 1.00 0.00 C ATOM 1091 C LYS B 14 10.926 -2.482 13.687 1.00 0.00 C ATOM 1092 O LYS B 14 11.849 -1.766 14.109 1.00 0.00 O ATOM 1093 CB LYS B 14 10.613 -0.931 11.684 1.00 0.00 C ATOM 1094 CG LYS B 14 11.717 -1.572 10.805 1.00 0.00 C ATOM 1095 CD LYS B 14 12.667 -0.526 10.170 1.00 0.00 C ATOM 1096 CE LYS B 14 13.460 0.277 11.227 1.00 0.00 C ATOM 1097 NZ LYS B 14 14.220 -0.600 12.154 1.00 0.00 N ATOM 0 H LYS B 14 8.968 -0.253 13.512 1.00 0.00 H new ATOM 0 HA LYS B 14 9.506 -2.746 12.069 1.00 0.00 H new ATOM 0 HB2 LYS B 14 9.859 -0.487 11.034 1.00 0.00 H new ATOM 0 HB3 LYS B 14 11.052 -0.119 12.264 1.00 0.00 H new ATOM 0 HG2 LYS B 14 12.301 -2.264 11.412 1.00 0.00 H new ATOM 0 HG3 LYS B 14 11.249 -2.158 10.014 1.00 0.00 H new ATOM 0 HD2 LYS B 14 13.366 -1.032 9.504 1.00 0.00 H new ATOM 0 HD3 LYS B 14 12.085 0.163 9.557 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.151 0.953 10.723 1.00 0.00 H new ATOM 0 HE3 LYS B 14 12.771 0.896 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.057 -0.092 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 13.614 -0.864 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 14.521 -1.459 11.651 1.00 0.00 H new ATOM 1111 N ALA B 15 10.704 -3.732 14.125 1.00 0.00 N ATOM 1112 CA ALA B 15 11.597 -4.447 15.054 1.00 0.00 C ATOM 1113 C ALA B 15 12.482 -5.441 14.248 1.00 0.00 C ATOM 1114 O ALA B 15 12.023 -6.563 13.956 1.00 0.00 O ATOM 1115 CB ALA B 15 10.757 -5.154 16.148 1.00 0.00 C ATOM 1116 OXT ALA B 15 13.616 -5.071 13.869 1.00 0.00 O ATOM 0 H ALA B 15 9.892 -4.281 13.842 1.00 0.00 H new ATOM 0 HA ALA B 15 12.261 -3.748 15.562 1.00 0.00 H new ATOM 0 HB1 ALA B 15 11.421 -5.681 16.833 1.00 0.00 H new ATOM 0 HB2 ALA B 15 10.181 -4.412 16.701 1.00 0.00 H new ATOM 0 HB3 ALA B 15 10.077 -5.867 15.681 1.00 0.00 H new TER 1122 ALA B 15